SCHEMBL29326412

SCHEMBL29326412

Cc1nc(NC[C@@H]2CCCO2)nnc1-c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 5/20 0.45
KDM4E B2RXH2 5/20 0.45
HPGD P15428 5/20 0.45
HSD17B10 Q99714 5/20 0.45
TP53 P04637 2/20 0.45
MAPK1 P28482 2/20 0.45
ALOX15 P16050 1/20 0.45
ALDH1A1 P00352 5/20 0.44
KCNH2 Q12809 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IL1B P01584 3/20 0.43
TNF P01375 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TNK2 Q07912 1/20 0.41
GAA P10253 4/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29326688 0.97 NLRP3 (0.48) NLRP3MEN1KMT2ATSHRKDM4E
SCHEMBL29155893 0.87 NLRP3 (0.47) NLRP3KCNH2IL1BTNF
SCHEMBL29975535 0.87 NLRP3 (0.47) NLRP3KCNH2IL1BTNF
SCHEMBL29975213 0.87 NLRP3 (0.47) NLRP3KCNH2IL1BTNF
SCHEMBL29326670 0.85 NLRP3 (0.54) NLRP3KCNH2IL1BTNF
SCHEMBL29030601 0.83 TNK2 (0.41) MEN1KMT2ATSHRKDM4EHPGD
SCHEMBL30488545 0.83 TNK2 (0.41) MEN1KMT2ATSHRKDM4EHPGD
SCHEMBL25862365 0.83 TNK2 (0.41) MEN1KMT2ATSHRKDM4EHPGD
SCHEMBL30488495 0.83 TNK2 (0.41) MEN1KMT2ATSHRKDM4EHPGD
SCHEMBL25856345 0.83 TNK2 (0.41) MEN1KMT2ATSHRKDM4EHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NICO THERAPEUTICS, INC. 2024-07-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NLRP3, NLRP1, PYCARD NLRP3 1/4885MEN1 4346/4885KMT2A 2519/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.